
 CHEMBL3718420

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3718420

>  <PubChem CID>
90039926

>  <Formula>
C26H22Cl2N6

>  <Molecular Weight>
489.404000

>  <IUPAC Name>
4-[[3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]amino]benzonitrile

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N=C3NC5=CC=C(C=C5)C#N

>  <Isomeric SMILES>
C1CN(CCN1CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N=C3NC5=CC=C(C=C5)C#N

>  <InChI Std. ID>
InChI=1S/C26H22Cl2N6/c27-20-7-10-22(28)19(15-20)17-33-11-13-34(14-12-33)26-25(30-21-8-5-18(16-29)6-9-21)31-23-3-1-2-4-24(23)32-26/h1-10,15H,11-14,17H2,(H,30,31)

>  <InChI Key>
CIEDROOIOWMRDC-UHFFFAOYSA-N

